SCHEMBL25930307

SCHEMBL25930307

FC(F)(F)c1ccc(CSCS)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.52
TAAR1 Q96RJ0 1/20 0.45
MAPT P10636 1/20 0.45
ACE P12821 1/20 0.45
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
DAO P14920 1/20 0.41
MAOB P27338 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15B O15296 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KIF11 P52732 1/20 0.38
KMT2A Q03164 1/20 0.38
MIF P14174 1/20 0.38
SCN9A Q15858 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23927282 0.87 IDO1 (0.59) IDO1TAAR1MAPTACEBCHE
SCHEMBL13319587 0.79 MAPT (0.53) IDO1TAAR1MAPTBCHEACHE
SCHEMBL24188338 0.78 IDO1 (0.55) IDO1TAAR1MAPTBCHEACHE
SCHEMBL23927279 0.78 IDO1 (0.59) IDO1TAAR1MAPTBCHEACHE
SCHEMBL25464628 0.78 BCHE (0.61) IDO1TAAR1MAPTACEBCHE
SCHEMBL7531508 0.76 IDO1 (0.49) IDO1TAAR1MAPTACEBCHE
SCHEMBL3073275 0.75 TAAR1 (0.54) IDO1TAAR1MAOBKDM4EALDH1A1
SCHEMBL23796962 0.75 PYCR1 (0.47) IDO1TAAR1MAPTACEBCHE
SCHEMBL5534307 0.74 IDO1 (0.55) IDO1TAAR1MAPTBCHEACHE
SCHEMBL5534304 0.74 IDO1 (0.55) IDO1TAAR1MAPTBCHEACHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 IDO1 4683/4885TAAR1 2181/4885MAPT 4883/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.